Information card for entry 2206386

Structure parameters

• Chemical name: Methanol[4-nitro-2-(pyridin-2-ylmethyliminomethyl)phenolato](thiocyanato) zinc(II)
• Formula: C15 H14 N4 O4 S Zn
• Calculated formula: C15 H14 N4 O4 S Zn
• SMILES: [Zn]12([N](=Cc3c(O1)ccc(N(=O)=O)c3)Cc1[n]2cccc1)([OH]C)N=C=S
• Title of publication: Methanol[4-nitro-2-(pyridin-2-ylmethyliminomethyl)phenolato](thiocyanato)zinc(II)
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1571 - m1573
• a: 10.617 ± 0.001 Å
• b: 11.399 ± 0.001 Å
• c: 13.691 ± 0.001 Å
• α: 90°
• β: 94.133 ± 0.001°
• γ: 90°
• Cell volume: 1652.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes